SCHEMBL3028296

SCHEMBL3028296

O=C1CCC(c2ccccc2)([N+](=O)[O-])CN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRL1 P41146 1/20 0.38
CXCR3 P49682 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.32
CRBN Q96SW2 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
GRIN2B Q13224 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3832335 0.75 ALDH1A1 (0.41) OPRM1OPRL1MEN1KMT2ACYP2C9
SCHEMBL3021766 0.73 MEN1 (0.57) OPRM1OPRL1CXCR3MEN1KMT2A
SCHEMBL11461558 0.72 AKR1C1 (0.39) OPRM1OPRL1MEN1KMT2ACYP2C9
SCHEMBL15037442 0.70 OPRM1 (0.45) OPRM1OPRL1CXCR3MEN1KMT2A
SCHEMBL3017563 0.70 OPRM1 (0.42) OPRM1OPRL1CXCR3MEN1KMT2A
SCHEMBL3017592 0.70 ALDH1A1 (0.44) OPRM1MEN1KMT2ACYP2C9GRIN1
SCHEMBL3712955 0.69 MAPT (0.32) MEN1KMT2ACRBNCYP1A2POLB
SCHEMBL3706115 0.69 KDM1A (0.30) MEN1KMT2ACRBNCYP1A2POLB
SCHEMBL3709972 0.67 MAOB (0.55) OPRM1OPRL1CXCR3MEN1KMT2A
SCHEMBL7897277 0.67 OPRM1 (0.39) OPRM1OPRL1CXCR3MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2025-10-16 US disclosed
CN-119546604-A Pyrido [3,2-D ] pyrimidines as HPK1 inhibitors 默克专利有限公司 2025-02-28 CN disclosed
EP-4507789-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-02-19 EP disclosed
WO-2023201185-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed
EP-3258929-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
US-10351558-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-16 US disclosed
US-20180022747-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-25 US disclosed
US-20180022747-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-25 US disclosed
EP-3258929-A1 FACTOR IXa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-12-27 EP disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 WO disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 WO disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180022747-A1 Factor IXa Inhibitors F9, TFPI, F12 OPRM1 3598/4885OPRL1 3884/4885CXCR3 877/4885
US-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS PDXK, PPIP5K2, IP6K1 OPRM1 4236/4885OPRL1 3919/4885CXCR3 2169/4885
US-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C OPRM1 67/4885OPRL1 97/4885CXCR3 3635/4885
US-10351558-B2 Factor IXa inhibitors F9, TFPI, F12 OPRM1 3598/4885OPRL1 3884/4885CXCR3 877/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C OPRM1 67/4885OPRL1 97/4885CXCR3 3635/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.